{"title":"呋塞米在 283.15 至 323.15 K 的 12 种纯溶剂中的固液平衡行为和数据相关性","authors":"Jingxuan Qiu*, Jing Lin, Chaoqun Zhang, Liping Zhao, Peng Wang*, Jia Zhang, Rui Zhang, Yunchun Guo and Huiliang Wang, ","doi":"10.1021/acs.jced.4c00089","DOIUrl":null,"url":null,"abstract":"<p >In this paper, the solubility of furosemide in 12 monosolvents including methanol, ethanol, <i>n</i>-propanol, isopropanol, <i>n</i>-butanol, <i>sec</i>-butanol, 1-pentanol, acetone, 2-butanone, methyl acetate, ethyl acetate, and water was measured by using a static gravimetric method within the temperature range of 283.15 to 323.15 K under atmospheric pressure. The solubility magnitudes show an increasing tendency with the increase of temperature in all solvents. Within the entire temperature range, the solubility is the lowest in water (0.0053 × 10<sup>–3</sup> at 283.15 K) and the highest in 1-pentanol (72.736 × 10<sup>–3</sup> at 323.15 K). The rough subsequence of solubility is 1-pentanol > methanol > <i>n</i>-propanol > ethanol > isopropanol > <i>sec</i>-butanol > <i>n</i>-butanol in alcoholic solvents and acetone >2-butanone > methyl acetate > ethyl acetate > water in nonalcohol solvents. The solubility behavior of furosemide is a result of the combined effects of solvent polarity, solvent–solvent intermolecular interactions (characterized by cohesive energy density), and summation of hydrogen bond acceptor propensities. Moreover, the experimental solubility data were fitted by the models of Apelblat and Yaws. The results indicate that the two models could both correlate the experimental values satisfactorily, and the Yaws model is more appropriate to fit the solubility data of furosemide compared with the Apelblat model.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":null,"pages":null},"PeriodicalIF":2.0000,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Solid-Liquid Equilibrium Behavior and Data Correlation of Furosemide in 12 Pure Solvents from 283.15 to 323.15 K\",\"authors\":\"Jingxuan Qiu*, Jing Lin, Chaoqun Zhang, Liping Zhao, Peng Wang*, Jia Zhang, Rui Zhang, Yunchun Guo and Huiliang Wang, \",\"doi\":\"10.1021/acs.jced.4c00089\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >In this paper, the solubility of furosemide in 12 monosolvents including methanol, ethanol, <i>n</i>-propanol, isopropanol, <i>n</i>-butanol, <i>sec</i>-butanol, 1-pentanol, acetone, 2-butanone, methyl acetate, ethyl acetate, and water was measured by using a static gravimetric method within the temperature range of 283.15 to 323.15 K under atmospheric pressure. The solubility magnitudes show an increasing tendency with the increase of temperature in all solvents. Within the entire temperature range, the solubility is the lowest in water (0.0053 × 10<sup>–3</sup> at 283.15 K) and the highest in 1-pentanol (72.736 × 10<sup>–3</sup> at 323.15 K). The rough subsequence of solubility is 1-pentanol > methanol > <i>n</i>-propanol > ethanol > isopropanol > <i>sec</i>-butanol > <i>n</i>-butanol in alcoholic solvents and acetone >2-butanone > methyl acetate > ethyl acetate > water in nonalcohol solvents. The solubility behavior of furosemide is a result of the combined effects of solvent polarity, solvent–solvent intermolecular interactions (characterized by cohesive energy density), and summation of hydrogen bond acceptor propensities. Moreover, the experimental solubility data were fitted by the models of Apelblat and Yaws. The results indicate that the two models could both correlate the experimental values satisfactorily, and the Yaws model is more appropriate to fit the solubility data of furosemide compared with the Apelblat model.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2024-05-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical & Engineering Data\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.jced.4c00089\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.4c00089","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
本文在 283.15 至 323.15 K 的温度范围内，在常压下采用静态重量法测定了呋塞米在甲醇、乙醇、正丙醇、异丙醇、正丁醇、仲丁醇、1-戊醇、丙酮、2-丁酮、醋酸甲酯、醋酸乙酯和水等 12 种单溶剂中的溶解度。在所有溶剂中，随着温度的升高，溶解度都呈上升趋势。在整个温度范围内，水的溶解度最低（283.15 K 时为 0.0053 × 10-3），1-戊醇的溶解度最高（323.15 K 时为 72.736 × 10-3）。在酒精溶剂中，溶解度的大致序列为 1-戊醇；甲醇；正丙醇；乙醇；异丙醇；仲丁醇；正丁醇；在非酒精溶剂中，溶解度的大致序列为丙酮；2-丁酮；醋酸甲酯；醋酸乙酯；水。呋塞米的溶解行为是溶剂极性、溶剂-溶剂分子间相互作用（以内聚能密度为特征）以及氢键受体倾向性总和等因素综合作用的结果。此外，实验溶解度数据还与 Apelblat 和 Yaws 模型进行了拟合。结果表明，这两种模型都能令人满意地与实验值相关联，与 Apelblat 模型相比，Yaws 模型更适合拟合呋塞米的溶解度数据。
Solid-Liquid Equilibrium Behavior and Data Correlation of Furosemide in 12 Pure Solvents from 283.15 to 323.15 K
In this paper, the solubility of furosemide in 12 monosolvents including methanol, ethanol, n-propanol, isopropanol, n-butanol, sec-butanol, 1-pentanol, acetone, 2-butanone, methyl acetate, ethyl acetate, and water was measured by using a static gravimetric method within the temperature range of 283.15 to 323.15 K under atmospheric pressure. The solubility magnitudes show an increasing tendency with the increase of temperature in all solvents. Within the entire temperature range, the solubility is the lowest in water (0.0053 × 10–3 at 283.15 K) and the highest in 1-pentanol (72.736 × 10–3 at 323.15 K). The rough subsequence of solubility is 1-pentanol > methanol > n-propanol > ethanol > isopropanol > sec-butanol > n-butanol in alcoholic solvents and acetone >2-butanone > methyl acetate > ethyl acetate > water in nonalcohol solvents. The solubility behavior of furosemide is a result of the combined effects of solvent polarity, solvent–solvent intermolecular interactions (characterized by cohesive energy density), and summation of hydrogen bond acceptor propensities. Moreover, the experimental solubility data were fitted by the models of Apelblat and Yaws. The results indicate that the two models could both correlate the experimental values satisfactorily, and the Yaws model is more appropriate to fit the solubility data of furosemide compared with the Apelblat model.
期刊介绍：
The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.
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